Clarification of the binding mode of teleocidin and benzolactams to the Cys2 domain of protein kinase Cdelta by synthesis of hydrophobically modified, teleocidin-mimicking benzolactams and computational docking simulation

..This is the first example of derivatives of polymethylcarborane, which resembles C60 in size, with biological activity...

Clarification of the binding mode of teleocidin and benzolactams to the Cys2 domain of protein kinase Cdelta by synthesis of hydrophobically modified, teleocidin-mimicking benzolactams and computational docking simulation

..The values (pi=2.69-4.44) vary depending on the position of substitution on the carborane cage and the isomeric form (o-, m-, p-carboranes). These values lie within the range of those of hydrocarbons...